methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate

C14H19N3O4 — CID 43422846

IUPACmethyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(20)15-8)7-12(18)17-6-4-5-11(17)13(19)21-3/h11H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyZEJPDTRAARHHRK-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.09
Rot. Bonds3

About methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43422846) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43422846
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(20)15-8)7-12(18)17-6-4-5-11(17)13(19)21-3/h11H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyZEJPDTRAARHHRK-UHFFFAOYSA-N
XLogP0.09
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate (CID 43422846) is methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is ZEJPDTRAARHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(20)15-8)7-12(18)17-6-4-5-11(17)13(19)21-3/h11H,4-7H2,1-3H3,(H,15,16,20).
What are the key properties of methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43422846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).